[gmx-users] Regarding 'insolidangle' and some tools
venkat4bt at gmail.com
Thu Jul 10 07:50:02 CEST 2014
Thank you Sir. gmx help explains it. I tried to compile the tools on
gromacs-4.5 but somehow the installation was terminating with errors. Then
I thought, you might have the modified gromacs copy. Anyway, I will try to
install the tools on gromacs-4.5 template. Thank you sir for your time and
On Thu, Jul 10, 2014 at 9:51 AM, Teemu Murtola <teemu.murtola at gmail.com>
> On Wed, Jul 9, 2014 at 7:13 PM, Venkat Reddy <venkat4bt at gmail.com> wrote:
> > underprot = insolidangle center com of lipids span group "Protein" cutoff
> > 5;
> > I know the purpose of the above statement but I didn't get the meaning of
> > some of the words, like "insolidangle" and "cutoff=5". If don't mind, can
> > you please explain this statement?
> Please see 'gmx help selections keywords insolidangle' for a general
> explanation. If that is not clear, I can clarify that further.
> There are some useful tools for spherical systems like g_jumpdist, g_rdf
> > (modified)....etc that you explained in your presentation. Do you have
> > modified gromacs copy with the inclusion of these tools. Because these
> > tools are very important for my system. Sorry for such a lengthy mail.
> I have sent whatever I had for these tools to you personally in May 2013.
> Not much has happened since, except that 'gmx distance', 'gmx gangle' and
> 'gmx sasa' may be able to cover some parts of the needs. Due to various
> reasons (most important of which is that I have left academia in 2010), it
> has not been exactly fast to get any of those tools actually included in
> I never had "modified Gromacs copy", but only a set of tools and the
> selection engine that could be compiled against an existing Gromacs
> installation. The selection engine was included in Gromacs 4.5, and the
> code has changed a lot since, but the tools have not been updated and so do
> not work with newer Gromacs versions without modifications.
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
With Best Wishes
Venkat Reddy Chirasani
Laboratory of Computational Biophysics
Department of Biotechnology
More information about the gromacs.org_gmx-users